First-principle electronic properties of dilute-as GaNAs alloy for visible light emitters

The band structure of dilute-As GaNAs alloy with the As composition range from 0% to 12.5% is studied by using First-Principle density-functional calculation. Our analysis shows that the dilute-As GaNAs alloy exhibits the direct band gap properties. The dilute-As GaNAs alloy shows a band gap range from 3.645 eV down to 2.232 eV with As content varying from 0% to 12.5%, which covers the blue and green spectral regime. This finding indicates the alloy as a potential candidate for photonic devices applications. The bowing parameter of 14.5 eV 0.5 eV is also obtained using line fitting with the First-Principle and experimental data. The effective masses for electrons and holes in dilute-As GaNAs alloy, as well as the split-off energy parameters, were also presented. Minimal interband Auger recombination is also suggested for the dilute-As GaNAs alloy attributing to the off-resonance condition for this process.